UCSF

ZINC36852517

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 20 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.18 4.76 -39.27 3 3 1 40 275.416 4
Mid Mid (pH 6-8) 3.18 6.03 -37.37 3 3 1 37 275.416 4
Lo Low (pH 4.5-6) 3.18 6.99 -110.68 4 3 2 41 276.424 4

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )